4-Chloro-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
• CAS No.: 530150-52-8
• Molecular Formula: C20H15ClN2O4S
• Molecular Weight: 414.86
• DSSTox Substance ID: DTXSID50403789
• Wikidata: Q82207592
• Mol file: 530150-52-8.mol

Synonyms:4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid;530150-52-8;DTXSID50403789;AKOS000103221

Chemical Property of 4-Chloro-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 5.12210
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 414.0441058
• Heavy Atom Count: 28
• Complexity: 605

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl